(phenylmethyl) 3-(tert-butylamino)-3-oxidanylidene-propanimidothioate hydrobromide

Systemtic Name: (phenylmethyl) 3-(tert-butylamino)-3-oxidanylidene-propanimidothioate hydrobromide Openeye Name: benzyl 3-(tert-butylamino)-3-oxo-propanimidothioate hydrobromide CAS Name: 3-(tert-butylamino)-3-oxopropanimidothioic acid (phenylmethyl) ester hydrobromide IUPAC Name: benzyl 3-(tert-butylamino)-3-oxopropanimidothioate hydrobromide Traditional Name: 3-(tert-butylamino)-3-keto-thiopropionimidic acid benzyl ester hydrobromide Formula: C14H21BrN2OS MolecularWeight: 345.29834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CC(=N)SCC1=CC=CC=C1.Br

Isomeric SMILES

CC(C)(C)NC(=O)CC(=N)SCC1=CC=CC=C1.Br

InChI

InChI=1S/C14H20N2OS.BrH/c1-14(2,3)16-13(17)9-12(15)18-10-11-7-5-4-6-8-11;/h4-8,15H,9-10H2,1-3H3,(H,16,17);1H